#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yuk s SER 2 N 0.00 4.50 -0.14 1.61 1.04 -1.26 -5.00 113.70 114.45 2yuk s SER 2 Ca 0.00 2.20 -0.11 0.00 0.48 0.00 0.00 55.95 58.52 2yuk s SER 2 Cb 0.00 -2.57 -0.08 0.00 0.10 0.00 0.00 66.02 63.47 2yuk s SER 2 CO 0.00 -2.05 0.04 0.28 0.98 0.00 0.00 173.24 172.49 2yuk h SER 3 N -0.25 0.00 -0.76 7.02 0.02 -2.14 -3.51 113.55 113.92 2yuk h SER 3 Ca -0.47 -0.20 0.00 0.00 -0.84 0.00 0.00 61.79 60.28 2yuk h SER 3 Cb 1.27 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.81 2yuk h SER 3 CO 0.51 0.87 0.00 0.61 -1.14 0.00 0.00 176.83 177.68 2yuk n GLY 4 N 1.62 0.48 3.18 -3.77 0.00 -1.26 -5.13 105.19 100.30 2yuk n GLY 4 Ca -0.11 -1.67 -0.17 0.00 0.00 0.00 0.00 46.02 44.08 2yuk n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2yuk s SER 5 N -4.00 1.62 0.66 1.61 1.04 -1.26 -5.13 113.70 108.24 2yuk s SER 5 Ca 0.00 -0.71 -0.17 0.00 0.48 0.00 0.00 55.95 55.55 2yuk s SER 5 Cb 0.00 -0.03 -0.06 0.00 0.10 0.00 0.00 66.02 66.03 2yuk s SER 5 CO 0.00 -0.15 0.56 -0.24 0.98 0.00 0.00 173.24 174.39 2yuk n SER 6 N 0.92 -0.98 0.00 7.02 2.88 -1.26 -4.99 113.62 117.21 2yuk n SER 6 Ca -0.19 0.66 0.00 0.00 -1.33 0.00 0.00 58.87 58.01 2yuk n SER 6 Cb 0.56 -1.22 0.00 0.00 -0.75 0.00 0.00 64.21 62.80 2yuk n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2yuk n GLY 7 N 1.67 -2.63 3.37 0.46 0.00 -1.26 -5.06 105.19 101.73 2yuk n GLY 7 Ca 0.11 -0.70 0.02 0.00 0.00 0.00 0.00 46.02 45.45 2yuk n GLY 7 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2yuk s ASN 8 N -1.83 -1.21 0.96 1.61 -0.87 -1.26 -5.17 114.94 107.18 2yuk s ASN 8 Ca 0.00 1.13 -0.14 0.00 -1.57 0.00 0.00 52.86 52.28 2yuk s ASN 8 Cb 0.00 2.17 0.17 0.00 -0.02 0.00 0.00 41.25 43.57 2yuk s ASN 8 CO 0.00 -0.23 1.18 0.00 -2.57 0.00 0.00 177.10 175.48 2yuk s ALA 9 N 2.86 1.76 -0.79 0.60 0.00 -1.26 -5.02 121.76 119.92 2yuk s ALA 9 Ca 0.08 -0.76 -0.01 0.00 0.00 0.00 0.00 51.96 51.27 2yuk s ALA 9 Cb -0.13 -2.94 0.20 0.00 0.00 0.00 0.00 23.12 20.24 2yuk s ALA 9 CO -0.20 -2.48 0.64 -1.14 0.00 0.00 0.00 175.76 172.58 2yuk s GLN 10 N -5.47 2.95 0.65 0.00 2.00 -1.26 -5.08 119.66 113.46 2yuk s GLN 10 Ca 0.67 -3.06 -0.16 0.00 -2.00 0.00 0.00 55.36 50.81 2yuk s GLN 10 Cb -0.11 -3.82 -0.00 0.00 0.80 0.00 0.00 33.01 29.88 2yuk s GLN 10 CO 0.53 -1.24 1.14 1.03 -0.50 0.00 0.00 175.29 176.26 2yuk s ARG 11 N -0.97 2.74 -0.36 1.67 3.00 -1.26 -4.94 118.95 118.83 2yuk s ARG 11 Ca 0.24 1.54 0.08 0.00 0.00 0.00 0.00 55.73 57.59 2yuk s ARG 11 Cb -0.11 -1.93 0.69 0.00 0.00 0.00 0.00 34.95 33.60 2yuk s ARG 11 CO -0.10 -1.32 1.80 0.43 0.00 0.00 0.00 175.30 176.11 2yuk n SER 12 N -2.26 4.25 -3.78 0.23 7.64 -1.26 -4.92 113.62 113.51 2yuk n SER 12 Ca 0.11 -3.39 -0.23 0.00 1.01 0.00 0.00 58.87 56.37 2yuk n SER 12 Cb 0.51 -0.76 0.01 0.00 -1.01 0.00 0.00 64.21 62.97 2yuk n SER 12 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2yuk n THR 13 N -0.57 -4.18 -0.10 0.44 -2.24 -1.26 -4.92 114.28 101.44 2yuk n THR 13 Ca 0.45 -0.56 -0.16 0.00 -2.27 0.00 0.00 64.05 61.52 2yuk n THR 13 Cb 1.43 -3.47 -0.06 0.00 -2.10 0.00 0.00 70.33 66.12 2yuk n THR 13 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2yuk n LEU 14 N -4.29 1.90 -0.33 3.22 4.32 -1.26 -3.97 117.00 116.58 2yuk n LEU 14 Ca -0.28 0.43 0.23 0.00 -0.02 0.00 0.00 56.01 56.37 2yuk n LEU 14 Cb 0.67 -0.84 0.47 0.00 -1.62 0.00 0.00 43.42 42.10 2yuk n LEU 14 CO 0.70 0.01 1.11 0.11 -1.22 0.00 0.00 177.39 178.11 2yuk h LYS 15 N -1.00 0.31 0.85 3.23 1.79 -2.00 -0.64 116.57 119.11 2yuk h LYS 15 Ca -0.26 -0.02 -0.04 0.00 -2.18 0.00 0.00 60.65 58.15 2yuk h LYS 15 Cb 1.10 -0.07 0.01 0.00 -1.58 0.00 0.00 32.23 31.69 2yuk h LYS 15 CO -0.16 0.20 -0.41 -1.49 -1.08 0.00 0.00 179.45 176.52 2yuk h TRP 16 N 0.32 -1.05 -1.34 -1.35 4.06 -1.98 0.26 115.95 114.86 2yuk h TRP 16 Ca 0.73 -0.02 0.39 0.00 2.06 0.00 0.00 58.89 62.04 2yuk h TRP 16 Cb 1.65 0.35 -0.08 0.00 -1.00 0.00 0.00 29.16 30.08 2yuk h TRP 16 CO -0.02 -0.65 0.93 1.49 -3.56 0.00 0.00 178.44 176.63 2yuk h GLU 17 N -1.26 0.09 0.09 0.49 4.57 -1.27 0.58 114.58 117.87 2yuk h GLU 17 Ca -0.12 -0.01 -0.14 0.00 -1.18 0.00 0.00 59.36 57.92 2yuk h GLU 17 Cb 0.88 -0.02 0.02 0.00 -0.16 0.00 0.00 28.75 29.46 2yuk h GLU 17 CO 0.19 0.06 -0.59 0.87 -1.18 0.00 0.00 179.01 178.36 2yuk h LYS 18 N 0.09 0.24 0.00 1.92 1.79 -1.08 -3.28 116.57 116.25 2yuk h LYS 18 Ca 0.69 -0.38 -0.02 0.00 -2.18 0.00 0.00 60.65 58.76 2yuk h LYS 18 Cb 2.48 0.14 -0.00 0.00 -1.58 0.00 0.00 32.23 33.26 2yuk h LYS 18 CO -0.14 1.16 -0.11 0.93 -1.08 0.00 0.00 179.45 180.20 2yuk h GLU 19 N -0.47 0.00 0.00 3.15 4.39 0.17 -2.42 114.58 119.39 2yuk h GLU 19 Ca -0.10 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.60 2yuk h GLU 19 Cb 1.43 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.08 2yuk h GLU 19 CO 0.11 0.11 0.00 0.93 -1.16 0.00 0.00 179.01 179.01 2yuk h GLU 20 N 0.00 0.00 0.13 2.33 4.39 -0.10 -1.88 114.58 119.45 2yuk h GLU 20 Ca -0.00 0.00 -0.36 0.00 0.34 0.00 0.00 59.36 59.34 2yuk h GLU 20 Cb 0.45 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.08 2yuk h GLU 20 CO 0.01 0.00 -1.93 0.00 -1.16 0.00 0.00 179.01 175.93 2yuk h ALA 21 N 2.00 0.39 0.00 3.43 0.00 -1.60 -3.34 119.26 120.14 2yuk h ALA 21 Ca 0.00 -1.35 -0.00 0.00 0.00 0.00 0.00 54.91 53.56 2yuk h ALA 21 Cb 0.00 0.67 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 2yuk h ALA 21 CO 0.00 1.25 -0.00 -0.07 0.00 0.00 0.00 179.25 180.43 2yuk h LEU 22 N 0.04 0.00 0.00 0.00 3.38 -1.43 -3.47 115.31 113.83 2yuk h LEU 22 Ca -0.41 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.56 2yuk h LEU 22 Cb 2.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.77 2yuk h LEU 22 CO 0.09 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.23 2yuk n GLY 23 N -1.37 3.57 0.17 0.83 0.00 -1.01 -2.13 105.19 105.26 2yuk n GLY 23 Ca -0.03 -0.02 0.12 0.00 0.00 0.00 0.00 46.02 46.09 2yuk n GLY 23 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2yuk h GLU 24 N 0.00 0.00 -0.00 1.61 5.08 -1.87 0.26 114.58 119.66 2yuk h GLU 24 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2yuk h GLU 24 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2yuk h GLU 24 CO 0.00 0.00 -0.41 -1.33 -1.00 0.00 0.00 179.01 176.27 2yuk n MET 25 N -2.31 0.29 -1.74 2.33 2.81 -0.90 -4.94 117.12 112.66 2yuk n MET 25 Ca -0.01 -0.17 -0.67 0.00 -1.81 0.00 0.00 57.70 55.03 2yuk n MET 25 Cb 0.04 -1.50 -0.10 0.00 -0.71 0.00 0.00 33.22 30.96 2yuk n MET 25 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2yuk n ALA 26 N -1.20 -1.33 1.66 3.04 0.00 0.93 -4.76 120.51 118.84 2yuk n ALA 26 Ca 0.08 0.49 0.06 0.00 0.00 0.00 0.00 53.44 54.08 2yuk n ALA 26 Cb 0.34 -1.94 0.37 0.00 0.00 0.00 0.00 19.45 18.22 2yuk n ALA 26 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2yuk n THR 27 N 3.98 0.00 -4.13 0.00 -2.24 -1.26 -4.51 114.28 106.12 2yuk n THR 27 Ca 0.30 0.00 -0.24 0.00 -2.27 0.00 0.00 64.05 61.85 2yuk n THR 27 Cb -0.04 -0.32 -0.05 0.00 -2.10 0.00 0.00 70.33 67.81 2yuk n THR 27 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2yuk s VAL 28 N -2.00 4.32 -0.05 2.28 1.01 -1.26 -4.28 120.40 120.42 2yuk s VAL 28 Ca 0.19 -1.36 -0.14 0.00 0.00 0.00 0.00 61.98 60.66 2yuk s VAL 28 Cb 0.09 -3.28 -0.09 0.00 0.00 0.00 0.00 36.38 33.10 2yuk s VAL 28 CO 0.14 -0.27 0.59 0.00 0.00 0.00 0.00 175.10 175.57 2yuk h ALA 29 N 1.88 -0.43 0.09 5.51 0.00 -1.87 -3.02 119.26 121.42 2yuk h ALA 29 Ca -0.48 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.30 2yuk h ALA 29 Cb 1.23 0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.18 2yuk h ALA 29 CO 0.61 -0.42 -0.04 -1.00 0.00 0.00 0.00 179.25 178.40 2yuk h PRO 30 N -1.09 -0.12 0.00 0.00 0.13 -1.92 -1.82 132.00 127.18 2yuk h PRO 30 Ca -0.04 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.09 2yuk h PRO 30 Cb 0.39 0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.55 2yuk h PRO 30 CO 0.07 0.32 0.18 0.28 -0.23 0.00 0.00 178.00 178.63 2yuk h VAL 31 N -0.61 0.00 0.00 1.56 2.07 -1.91 -1.96 116.25 115.40 2yuk h VAL 31 Ca -0.01 0.00 -0.24 0.00 0.82 0.00 0.00 66.70 67.27 2yuk h VAL 31 Cb 0.50 0.66 -0.04 0.00 -1.52 0.00 0.00 31.29 30.89 2yuk h VAL 31 CO 0.02 0.00 -1.32 -0.11 0.02 0.00 0.00 177.57 176.18 2yuk n LEU 32 N -2.69 1.86 -0.03 2.57 7.94 -1.14 -3.48 117.00 122.03 2yuk n LEU 32 Ca -0.02 0.42 -0.11 0.00 -1.11 0.00 0.00 56.01 55.20 2yuk n LEU 32 Cb 0.23 -0.96 -0.04 0.00 0.53 0.00 0.00 43.42 43.18 2yuk n LEU 32 CO 0.13 0.27 0.62 0.22 -1.11 0.00 0.00 177.39 177.52 2yuk h TYR 33 N -1.00 -1.03 -0.80 1.96 5.03 -0.59 -1.32 116.97 119.21 2yuk h TYR 33 Ca -0.36 0.05 0.04 0.00 2.58 0.00 0.00 58.73 61.04 2yuk h TYR 33 Cb 1.30 0.48 -0.05 0.00 1.55 0.00 0.00 36.73 40.02 2yuk h TYR 33 CO 0.08 -0.43 0.51 1.79 -1.32 0.00 0.00 178.16 178.79 2yuk h THR 34 N -0.40 1.09 -0.87 1.81 1.35 -1.65 0.15 112.91 114.39 2yuk h THR 34 Ca 0.11 -0.33 0.21 0.00 -0.55 0.00 0.00 66.41 65.85 2yuk h THR 34 Cb 0.58 0.04 -0.06 0.00 -1.73 0.00 0.00 68.15 66.98 2yuk h THR 34 CO -0.42 0.18 0.59 0.78 -0.25 0.00 0.00 175.52 176.39 2yuk h ASN 35 N 0.96 0.30 0.00 5.36 2.35 -1.29 0.96 115.58 124.21 2yuk h ASN 35 Ca 0.33 0.03 0.00 0.00 -0.55 0.00 0.00 56.30 56.11 2yuk h ASN 35 Cb 0.07 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.41 2yuk h ASN 35 CO -0.13 0.12 -0.48 -0.38 -1.65 0.00 0.00 177.43 174.90 2yuk n ILE 36 N -4.45 1.32 -0.02 2.81 5.41 -0.56 -4.20 119.36 119.67 2yuk n ILE 36 Ca 0.18 0.24 -0.09 0.00 1.00 0.00 0.00 62.75 64.08 2yuk n ILE 36 Cb 0.74 -2.33 -0.03 0.00 -0.71 0.00 0.00 39.64 37.31 2yuk n ILE 36 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 176.55 177.33 2yuk h ASN 37 N -0.93 -0.31 -3.91 4.38 2.35 -0.64 -3.32 115.58 113.20 2yuk h ASN 37 Ca 0.00 0.07 -0.75 0.00 -0.55 0.00 0.00 56.30 55.07 2yuk h ASN 37 Cb 0.48 0.17 -0.30 0.00 0.05 0.00 0.00 38.32 38.72 2yuk h ASN 37 CO 0.00 -0.13 -0.12 -0.36 -1.65 0.00 0.00 177.43 175.17 2yuk s PHE 38 N -6.18 3.59 0.13 1.19 0.40 0.33 -4.91 117.98 112.54 2yuk s PHE 38 Ca -0.14 -2.26 -0.12 0.00 -0.60 0.00 0.00 56.93 53.82 2yuk s PHE 38 Cb 0.10 -3.55 -0.05 0.00 0.51 0.00 0.00 43.02 40.03 2yuk s PHE 38 CO 0.68 -0.93 1.47 -1.00 0.70 0.00 0.00 175.22 176.14 2yuk h PRO 39 N 7.54 0.90 -0.66 0.24 0.13 -1.71 -3.03 132.00 135.42 2yuk h PRO 39 Ca 0.03 -0.47 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 2yuk h PRO 39 Cb 1.01 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.15 2yuk h PRO 39 CO 0.75 1.13 0.00 0.27 -0.23 0.00 0.00 178.00 179.92 2yuk n ASN 40 N -4.10 4.76 -0.30 1.44 0.23 -1.26 -4.56 115.26 111.47 2yuk n ASN 40 Ca -0.02 -2.72 0.09 0.00 -0.53 0.00 0.00 54.58 51.40 2yuk n ASN 40 Cb 0.53 -0.64 0.21 0.00 -2.08 0.00 0.00 39.78 37.80 2yuk n ASN 40 CO 0.00 0.00 0.00 0.25 -0.93 0.00 0.00 177.26 176.58 2yuk h LEU 41 N 3.24 -0.44 -0.31 -4.53 5.85 -1.87 0.18 115.31 117.43 2yuk h LEU 41 Ca 0.00 0.24 0.07 0.00 0.84 0.00 0.00 57.88 59.03 2yuk h LEU 41 Cb 1.66 0.42 -0.07 0.00 0.37 0.00 0.00 40.66 43.04 2yuk h LEU 41 CO 0.38 -0.26 -0.18 0.11 -0.34 0.00 0.00 178.44 178.15 2yuk h LYS 42 N 0.06 -0.14 0.26 1.25 1.57 -1.80 -0.97 116.57 116.79 2yuk h LYS 42 Ca 0.50 0.01 0.01 0.00 -1.87 0.00 0.00 60.65 59.30 2yuk h LYS 42 Cb 0.94 0.03 -0.04 0.00 0.08 0.00 0.00 32.23 33.25 2yuk h LYS 42 CO -0.80 -0.10 -0.43 0.93 -0.57 0.00 0.00 179.45 178.48 2yuk h GLU 43 N -0.15 -0.73 -0.95 3.15 5.08 -1.02 -1.14 114.58 118.82 2yuk h GLU 43 Ca 0.16 0.05 0.22 0.00 -1.00 0.00 0.00 59.36 58.79 2yuk h GLU 43 Cb 0.39 0.17 -0.12 0.00 0.50 0.00 0.00 28.75 29.69 2yuk h GLU 43 CO -0.40 -0.49 0.50 0.93 -1.00 0.00 0.00 179.01 178.56 2yuk h GLU 44 N -0.76 0.51 -2.96 2.33 3.07 -1.02 -3.30 114.58 112.45 2yuk h GLU 44 Ca -0.01 -0.03 -0.58 0.00 -0.50 0.00 0.00 59.36 58.24 2yuk h GLU 44 Cb 0.73 -0.11 -0.40 0.00 -0.84 0.00 0.00 28.75 28.12 2yuk h GLU 44 CO -0.16 0.34 -0.78 -0.06 -1.40 0.00 0.00 179.01 176.94 2yuk s PHE 45 N -5.84 1.27 0.07 4.33 0.40 -0.40 -4.99 117.98 112.81 2yuk s PHE 45 Ca -0.11 -1.79 -0.18 0.00 -0.60 0.00 0.00 56.93 54.25 2yuk s PHE 45 Cb 0.26 -1.39 -0.12 0.00 0.51 0.00 0.00 43.02 42.28 2yuk s PHE 45 CO 0.79 -0.83 1.38 -1.00 0.70 0.00 0.00 175.22 176.26 2yuk h PRO 46 N 7.37 0.50 -6.26 0.24 0.13 -1.33 -3.41 132.00 129.24 2yuk h PRO 46 Ca -0.04 -0.26 -0.56 0.00 -0.87 0.00 0.00 66.00 64.27 2yuk h PRO 46 Cb 0.97 0.01 -0.03 0.00 0.13 0.00 0.00 31.00 32.08 2yuk h PRO 46 CO 0.40 0.84 1.25 -0.51 -0.23 0.00 0.00 178.00 179.75 2yuk s ASP 47 N -6.29 5.85 0.09 1.44 1.01 -1.26 -4.90 116.67 112.60 2yuk s ASP 47 Ca -0.13 0.98 -0.20 0.00 0.71 0.00 0.00 52.55 53.91 2yuk s ASP 47 Cb 0.07 -2.53 -0.06 0.00 1.01 0.00 0.00 42.92 41.40 2yuk s ASP 47 CO 0.78 -1.80 1.34 -0.25 0.21 0.00 0.00 175.17 175.45 2yuk h TRP 48 N 12.86 -1.09 -0.95 4.23 -0.00 -1.98 0.76 115.95 129.78 2yuk h TRP 48 Ca -0.31 0.06 0.28 0.00 -0.00 0.00 0.00 58.89 58.92 2yuk h TRP 48 Cb 1.15 0.52 -0.04 0.00 -0.00 0.00 0.00 29.16 30.80 2yuk h TRP 48 CO 0.98 -0.29 1.11 1.15 -0.00 0.00 0.00 178.44 181.39 2yuk h THR 49 N -0.19 0.05 0.05 2.65 2.02 -1.97 1.18 112.91 116.70 2yuk h THR 49 Ca 0.06 0.00 -0.36 0.00 0.77 0.00 0.00 66.41 66.88 2yuk h THR 49 Cb 0.34 0.10 -0.04 0.00 -1.74 0.00 0.00 68.15 66.81 2yuk h THR 49 CO -0.42 0.00 -2.12 0.41 0.37 0.00 0.00 175.52 173.76 2yuk n THR 50 N -3.31 1.62 0.02 3.16 -1.04 0.22 -4.36 114.28 110.58 2yuk n THR 50 Ca 0.21 -0.69 -0.12 0.00 -2.04 0.00 0.00 64.05 61.41 2yuk n THR 50 Cb 1.40 -1.34 -0.09 0.00 -1.82 0.00 0.00 70.33 68.48 2yuk n THR 50 CO 0.00 0.00 0.00 -0.09 -0.64 0.00 0.00 175.07 174.34 2yuk h ARG 51 N 0.03 -0.10 -1.81 -2.82 2.43 0.59 -3.14 114.38 109.55 2yuk h ARG 51 Ca -0.45 0.01 0.52 0.00 -0.81 0.00 0.00 59.98 59.25 2yuk h ARG 51 Cb 2.03 0.02 -0.07 0.00 -0.42 0.00 0.00 29.97 31.53 2yuk h ARG 51 CO 0.03 0.41 1.34 -0.24 -1.51 0.00 0.00 179.97 179.99 2yuk h VAL 52 N -0.68 0.06 -0.20 0.20 3.04 -0.52 1.05 116.25 119.20 2yuk h VAL 52 Ca -0.01 0.00 -0.07 0.00 -1.01 0.00 0.00 66.70 65.61 2yuk h VAL 52 Cb 0.55 0.06 -0.00 0.00 -2.01 0.00 0.00 31.29 29.89 2yuk h VAL 52 CO 0.02 0.00 -0.15 0.11 -1.01 0.00 0.00 177.57 176.54 2yuk h LYS 53 N 0.00 0.46 -0.19 4.17 1.57 -1.74 -2.98 116.57 117.85 2yuk h LYS 53 Ca 0.86 -0.22 0.02 0.00 -1.87 0.00 0.00 60.65 59.44 2yuk h LYS 53 Cb 3.52 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 35.82 2yuk h LYS 53 CO -0.01 0.78 0.13 1.96 -0.57 0.00 0.00 179.45 181.74 2yuk h GLN 54 N 0.14 0.16 -0.22 3.15 1.08 0.11 -1.08 115.11 118.44 2yuk h GLN 54 Ca 0.04 -0.01 -0.11 0.00 -1.45 0.00 0.00 58.65 57.12 2yuk h GLN 54 Cb 0.67 -0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 28.06 2yuk h GLN 54 CO 0.04 0.10 -0.34 0.82 -0.95 0.00 0.00 178.83 178.50 2yuk h ILE 55 N 0.16 1.29 -0.07 2.54 2.04 -1.34 0.09 117.51 122.22 2yuk h ILE 55 Ca 0.08 -1.44 -0.10 0.00 1.00 0.00 0.00 64.86 64.41 2yuk h ILE 55 Cb 0.13 1.49 0.00 0.00 -0.74 0.00 0.00 36.82 37.70 2yuk h ILE 55 CO -0.01 0.45 -0.33 0.00 0.00 0.00 0.00 178.15 178.26 2yuk h ALA 56 N 1.23 0.13 -0.04 1.87 0.00 -1.11 -1.88 119.26 119.46 2yuk h ALA 56 Ca 0.05 -0.45 -0.01 0.00 0.00 0.00 0.00 54.91 54.50 2yuk h ALA 56 Cb 0.79 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.58 2yuk h ALA 56 CO 0.06 0.19 -0.00 1.57 0.00 0.00 0.00 179.25 181.08 2yuk h LYS 57 N -0.16 0.08 0.00 0.00 2.10 -1.34 0.15 116.57 117.41 2yuk h LYS 57 Ca -0.02 -0.03 -0.02 0.00 -2.00 0.00 0.00 60.65 58.58 2yuk h LYS 57 Cb 0.99 -0.01 -0.00 0.00 -0.90 0.00 0.00 32.23 32.31 2yuk h LYS 57 CO 0.07 0.39 -0.11 -0.07 -2.00 0.00 0.00 179.45 177.73 2yuk h LEU 58 N -0.24 0.00 0.11 7.07 3.38 -1.08 -0.79 115.31 123.77 2yuk h LEU 58 Ca 0.01 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.83 2yuk h LEU 58 Cb 0.35 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.12 2yuk h LEU 58 CO 0.00 0.11 -0.67 -0.25 0.09 0.00 0.00 178.44 177.72 2yuk h TRP 59 N 0.00 0.45 -0.02 1.13 2.91 -1.11 -3.23 115.95 116.07 2yuk h TRP 59 Ca -0.00 -0.33 -0.00 0.00 1.13 0.00 0.00 58.89 59.69 2yuk h TRP 59 Cb 0.27 -0.02 -0.00 0.00 -0.51 0.00 0.00 29.16 28.90 2yuk h TRP 59 CO 0.00 1.25 0.01 0.00 -1.03 0.00 0.00 178.44 178.67 2yuk h ARG 60 N -0.47 0.04 -0.62 2.65 3.08 -0.69 -2.59 114.38 115.77 2yuk h ARG 60 Ca -0.12 -0.01 0.18 0.00 0.07 0.00 0.00 59.98 60.11 2yuk h ARG 60 Cb 1.52 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 31.54 2yuk h ARG 60 CO 0.13 0.23 0.50 1.57 -1.07 0.00 0.00 179.97 181.33 2yuk h LYS 61 N -0.16 0.00 -6.61 0.04 2.10 -1.30 -3.41 116.57 107.23 2yuk h LYS 61 Ca 0.01 0.00 -0.53 0.00 -2.00 0.00 0.00 60.65 58.13 2yuk h LYS 61 Cb 0.21 0.00 0.03 0.00 -0.90 0.00 0.00 32.23 31.57 2yuk h LYS 61 CO -0.00 0.00 0.74 0.00 -2.00 0.00 0.00 179.45 178.19 2yuk s ALA 62 N -4.86 3.61 0.60 0.07 0.00 -0.98 -4.97 121.76 115.23 2yuk s ALA 62 Ca -0.05 1.18 -0.19 0.00 0.00 0.00 0.00 51.96 52.90 2yuk s ALA 62 Cb 0.19 -3.54 -0.03 0.00 0.00 0.00 0.00 23.12 19.74 2yuk s ALA 62 CO 0.68 -0.64 1.27 -1.54 0.00 0.00 0.00 175.76 175.54 2yuk s SER 63 N 0.85 5.01 0.23 0.00 1.04 -1.26 -4.82 113.70 114.76 2yuk s SER 63 Ca 0.63 2.56 -0.08 0.00 0.48 0.00 0.00 55.95 59.54 2yuk s SER 63 Cb -0.38 -2.61 0.36 0.00 0.10 0.00 0.00 66.02 63.48 2yuk s SER 63 CO 0.34 -1.72 1.67 0.28 0.98 0.00 0.00 173.24 174.79 2yuk h SER 64 N 0.93 -0.15 -0.02 7.02 0.02 -1.93 0.68 113.55 120.09 2yuk h SER 64 Ca -0.51 0.15 0.00 0.00 -0.84 0.00 0.00 61.79 60.60 2yuk h SER 64 Cb 1.31 0.24 -0.00 0.00 0.14 0.00 0.00 62.40 64.09 2yuk h SER 64 CO 0.55 -0.08 0.07 1.56 -1.14 0.00 0.00 176.83 177.79 2yuk h GLN 65 N 0.18 0.00 0.11 3.45 7.50 -2.00 -0.77 115.11 123.58 2yuk h GLN 65 Ca 0.36 0.00 -0.29 0.00 0.50 0.00 0.00 58.65 59.22 2yuk h GLN 65 Cb 0.59 0.00 0.03 0.00 0.05 0.00 0.00 27.48 28.15 2yuk h GLN 65 CO -0.52 0.00 -1.22 1.49 -1.50 0.00 0.00 178.83 177.08 2yuk h GLU 66 N 0.00 0.58 0.00 1.46 4.57 0.03 -3.25 114.58 117.96 2yuk h GLU 66 Ca 0.01 -0.77 -0.05 0.00 -1.18 0.00 0.00 59.36 57.37 2yuk h GLU 66 Cb 0.14 0.25 -0.01 0.00 -0.16 0.00 0.00 28.75 28.98 2yuk h GLU 66 CO -0.00 1.34 -0.24 0.00 -1.18 0.00 0.00 179.01 178.93 2yuk h ARG 67 N 0.26 0.00 -0.62 1.92 3.08 -0.83 -3.36 114.38 114.84 2yuk h ARG 67 Ca -0.18 0.00 0.06 0.00 0.07 0.00 0.00 59.98 59.94 2yuk h ARG 67 Cb 1.89 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 31.87 2yuk h ARG 67 CO 0.23 0.24 -0.34 0.00 -1.07 0.00 0.00 179.97 179.03 2yuk n ALA 68 N -2.17 -0.34 0.02 0.04 0.00 -0.47 0.19 120.51 117.78 2yuk n ALA 68 Ca 0.02 0.54 -0.13 0.00 0.00 0.00 0.00 53.44 53.87 2yuk n ALA 68 Cb 0.58 -0.12 -0.09 0.00 0.00 0.00 0.00 19.45 19.82 2yuk n ALA 68 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2yuk h PRO 69 N 0.00 -0.10 0.00 0.00 0.13 -1.79 -2.83 132.00 127.41 2yuk h PRO 69 Ca 0.12 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 2yuk h PRO 69 Cb 0.27 0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.42 2yuk h PRO 69 CO -0.58 0.36 0.00 0.66 -0.23 0.00 0.00 178.00 178.20 2yuk n TYR 70 N -4.91 0.70 0.05 1.56 4.01 0.07 -0.35 117.16 118.29 2yuk n TYR 70 Ca -0.08 0.37 -0.20 0.00 -0.16 0.00 0.00 57.90 57.83 2yuk n TYR 70 Cb 0.25 -1.09 -0.14 0.00 -0.31 0.00 0.00 39.34 38.05 2yuk n TYR 70 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 2yuk h VAL 71 N 0.00 0.95 0.13 -0.72 2.07 0.23 -3.26 116.25 115.65 2yuk h VAL 71 Ca 0.00 -2.59 -0.24 0.00 0.82 0.00 0.00 66.70 64.69 2yuk h VAL 71 Cb 0.01 2.70 0.01 0.00 -1.52 0.00 0.00 31.29 32.48 2yuk h VAL 71 CO 0.00 0.83 -1.15 -0.61 0.02 0.00 0.00 177.57 176.65 2yuk h GLN 72 N 0.08 0.28 -0.72 1.57 5.75 -0.96 -3.34 115.11 117.77 2yuk h GLN 72 Ca -0.32 -0.48 0.10 0.00 -0.15 0.00 0.00 58.65 57.81 2yuk h GLN 72 Cb 2.06 0.18 -0.08 0.00 1.07 0.00 0.00 27.48 30.71 2yuk h GLN 72 CO 0.15 1.23 0.35 -0.22 -2.65 0.00 0.00 178.83 177.69 2yuk h LYS 73 N -0.32 0.56 -1.01 1.69 3.64 -0.88 -0.73 116.57 119.52 2yuk h LYS 73 Ca -0.23 -0.03 0.13 0.00 -1.27 0.00 0.00 60.65 59.24 2yuk h LYS 73 Cb 1.72 -0.13 -0.09 0.00 -0.41 0.00 0.00 32.23 33.33 2yuk h LYS 73 CO 0.11 0.37 0.63 0.00 -2.27 0.00 0.00 179.45 178.29 2yuk h ALA 74 N 1.45 1.53 -0.25 5.00 0.00 -1.69 0.83 119.26 126.13 2yuk h ALA 74 Ca 0.37 0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.24 2yuk h ALA 74 Cb 0.42 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2yuk h ALA 74 CO -0.29 0.20 -0.07 0.00 0.00 0.00 0.00 179.25 179.08 2yuk h ARG 75 N 0.97 0.50 -0.67 0.00 3.08 -1.27 -3.07 114.38 113.91 2yuk h ARG 75 Ca 0.51 -0.20 -0.04 0.00 0.07 0.00 0.00 59.98 60.33 2yuk h ARG 75 Cb 0.53 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.53 2yuk h ARG 75 CO -0.28 0.72 0.27 0.22 -1.07 0.00 0.00 179.97 179.84 2yuk h ASP 76 N 0.24 0.90 -0.81 7.04 1.82 -0.65 -2.37 116.42 122.60 2yuk h ASP 76 Ca 0.06 -0.12 0.16 0.00 -0.39 0.00 0.00 57.03 56.74 2yuk h ASP 76 Cb 0.55 -0.23 -0.06 0.00 0.68 0.00 0.00 39.33 40.27 2yuk h ASP 76 CO 0.03 0.81 0.54 0.78 -1.61 0.00 0.00 179.24 179.78 2yuk h ASN 77 N 0.97 0.44 -0.82 2.28 2.35 -0.78 -0.14 115.58 119.88 2yuk h ASN 77 Ca 0.23 0.03 -0.02 0.00 -0.55 0.00 0.00 56.30 55.99 2yuk h ASN 77 Cb 0.18 -0.06 -0.04 0.00 0.05 0.00 0.00 38.32 38.45 2yuk h ASN 77 CO -0.02 0.22 0.44 0.03 -1.65 0.00 0.00 177.43 176.45 2yuk h ARG 78 N 0.47 1.15 0.21 0.81 3.08 -1.41 -2.99 114.38 115.70 2yuk h ARG 78 Ca 0.40 -0.14 -0.01 0.00 0.07 0.00 0.00 59.98 60.30 2yuk h ARG 78 Cb 0.88 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 30.71 2yuk h ARG 78 CO -0.15 0.85 -0.11 0.00 -1.07 0.00 0.00 179.97 179.50 2yuk h ALA 79 N 1.23 -0.29 -0.86 0.04 0.00 -1.09 -2.80 119.26 115.50 2yuk h ALA 79 Ca 0.29 -0.06 0.24 0.00 0.00 0.00 0.00 54.91 55.37 2yuk h ALA 79 Cb 0.04 0.12 -0.16 0.00 0.00 0.00 0.00 17.79 17.79 2yuk h ALA 79 CO -0.04 -0.66 0.02 0.00 0.00 0.00 0.00 179.25 178.56 2yuk n ALA 80 N -2.22 0.44 0.24 0.00 0.00 -1.11 -0.07 120.51 117.79 2yuk n ALA 80 Ca -0.09 0.92 -0.14 0.00 0.00 0.00 0.00 53.44 54.13 2yuk n ALA 80 Cb 0.14 -0.67 -0.08 0.00 0.00 0.00 0.00 19.45 18.84 2yuk n ALA 80 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2yuk h LEU 81 N 0.00 -0.52 -0.96 0.00 3.38 -1.55 -0.48 115.31 115.17 2yuk h LEU 81 Ca 0.52 -0.08 0.30 0.00 0.09 0.00 0.00 57.88 58.71 2yuk h LEU 81 Cb 1.07 0.14 -0.17 0.00 0.09 0.00 0.00 40.66 41.79 2yuk h LEU 81 CO -0.81 -0.20 0.26 -0.09 0.09 0.00 0.00 178.44 177.69 2yuk h ARG 82 N -0.88 0.09 0.25 1.13 2.43 -0.29 -1.08 114.38 116.03 2yuk h ARG 82 Ca -0.06 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.09 2yuk h ARG 82 Cb 0.57 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.11 2yuk h ARG 82 CO 0.10 0.06 -0.12 0.82 -1.51 0.00 0.00 179.97 179.32 2yuk h ILE 83 N 0.09 0.46 -6.87 1.20 5.03 -1.19 -3.47 117.51 112.76 2yuk h ILE 83 Ca 0.66 -0.92 -0.58 0.00 -0.12 0.00 0.00 64.86 63.90 2yuk h ILE 83 Cb 1.48 0.77 -0.17 0.00 -3.03 0.00 0.00 36.82 35.87 2yuk h ILE 83 CO -0.78 0.12 -0.93 -0.46 -0.68 0.00 0.00 178.15 175.42 2yuk n ASN 84 N -5.00 0.13 -4.08 1.72 0.23 -0.20 -0.27 115.26 107.79 2yuk n ASN 84 Ca -0.07 -1.17 -0.27 0.00 -0.53 0.00 0.00 54.58 52.54 2yuk n ASN 84 Cb 0.23 -2.16 -0.05 0.00 -2.08 0.00 0.00 39.78 35.72 2yuk n ASN 84 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 2yuk n LYS 85 N -4.48 -2.48 0.07 -3.83 5.02 -1.26 -4.83 118.16 106.37 2yuk n LYS 85 Ca -0.28 0.30 0.12 0.00 -2.02 0.00 0.00 58.31 56.43 2yuk n LYS 85 Cb 0.67 -4.20 0.28 0.00 -0.02 0.00 0.00 35.03 31.76 2yuk n LYS 85 CO 0.00 0.00 0.00 1.55 -0.52 0.00 0.00 177.40 178.43 2yuk n VAL 86 N -4.47 0.41 -1.16 -0.18 3.14 0.63 -4.00 118.33 112.70 2yuk n VAL 86 Ca -0.32 -0.25 -0.21 0.00 -2.96 0.00 0.00 64.34 60.60 2yuk n VAL 86 Cb 0.69 -0.29 -0.01 0.00 -1.06 0.00 0.00 33.84 33.17 2yuk n VAL 86 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2yuk n GLN 87 N -2.11 2.07 -0.03 1.45 10.64 -1.26 -4.37 117.38 123.78 2yuk n GLN 87 Ca 0.04 -1.87 -0.20 0.00 -1.83 0.00 0.00 57.00 53.14 2yuk n GLN 87 Cb 0.43 -1.86 -0.13 0.00 -0.86 0.00 0.00 30.24 27.81 2yuk n GLN 87 CO 0.00 0.00 0.00 0.52 -1.83 0.00 0.00 177.06 175.75 2yuk h MET 88 N 2.21 0.15 -1.11 2.61 2.86 -1.97 -3.34 114.93 116.35 2yuk h MET 88 Ca 0.33 -0.26 0.40 0.00 -2.06 0.00 0.00 59.70 58.11 2yuk h MET 88 Cb 0.86 0.10 -0.16 0.00 0.06 0.00 0.00 31.60 32.46 2yuk h MET 88 CO 0.78 1.13 0.65 1.03 1.06 0.00 0.00 176.91 181.56 2yuk h SER 89 N -0.58 0.35 0.00 1.22 0.87 -1.93 -3.55 113.55 109.93 2yuk h SER 89 Ca -0.25 0.20 0.00 0.00 -1.23 0.00 0.00 61.79 60.52 2yuk h SER 89 Cb 1.52 0.19 0.00 0.00 -0.44 0.00 0.00 62.40 63.67 2yuk h SER 89 CO -0.00 -0.28 0.00 0.59 -0.53 0.00 0.00 176.83 176.61